Details of the Drug

General Information of Drug (ID: DMIZXFJ)

Drug Name
ONO-4007
Synonyms Ono-4007
Indication
Disease Entry ICD 11 Status REF
Immune System disease 4A01-4B41 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
3		 Molecular Weight 940.2
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 38
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 12
Chemical Identifiers
Formula
C50H78NNaO12S
IUPAC Name
sodium;[(2R,3S,4R,5R)-6-hydroxy-2-(hydroxymethyl)-4-(9-phenylnonanoyloxy)-5-[[(3S)-3-(9-phenylnonanoyloxy)tetradecanoyl]amino]oxan-3-yl] sulfate
Canonical SMILES
CCCCCCCCCCC[C@@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)OS(=O)(=O)[O-])OC(=O)CCCCCCCCC2=CC=CC=C2)OC(=O)CCCCCCCCC3=CC=CC=C3.[Na+]
InChI
InChI=1S/C50H79NO12S.Na/c1-2-3-4-5-6-7-8-15-26-35-42(60-45(54)36-27-16-11-9-13-20-29-40-31-22-18-23-32-40)38-44(53)51-47-49(48(63-64(57,58)59)43(39-52)61-50(47)56)62-46(55)37-28-17-12-10-14-21-30-41-33-24-19-25-34-41;/h18-19,22-25,31-34,42-43,47-50,52,56H,2-17,20-21,26-30,35-39H2,1H3,(H,51,53)(H,57,58,59);/q;+1/p-1/t42-,43+,47+,48+,49+,50?;/m0./s1
InChIKey
KSLCVWMGAOQHEA-TZBBHZOSSA-M
Cross-matching ID
PubChem CID
23663416
TTD ID
D06PKS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Toll-like receptor (TLR) TTOK0LR NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003036)
2 Toll-like receptors TLR2 and TLR4 initiate the innate immune response of the renal tubular epithelium to bacterial products. Clin Exp Immunol. 2006 August; 145(2): 346-356.